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MCULE-1491914457
Compound
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- InChIKey:
- SMILES:
- InChI:
- Formula:
| Amount | Price
 Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
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Guaranteed purity (%) | Delivery time
Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
|---|---|---|---|---|
| 1 mg | 36 USD | 90 | 19 working days | Get Quote |
| 5 mg | 52 USD | 90 | 19 working days | Get Quote |
| 10 mg | 66 USD | 90 | 19 working days | Get Quote |
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MCULE-4555237782
- Component type: Main
| Name | File |
|---|---|
| SDF | MCULE-1491914457.sdf |
| SMILES | MCULE-1491914457.smiles |
| Standard InChI | MCULE-1491914457.inchi |
| InChIKey | MCULE-1491914457.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-893063311 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-503061974 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-502658985 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-12554208 | Otava | In-House Stock Library | 90 | As is | 50 mg |
| P-888224953 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 7 mg |
| P-617770389 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As a main component | 79 mg |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 451.471 |
| logP | 1.6391 |
| H-bond acceptors | 9 |
| H-bond donors | 1 |
| Rotatable bonds | 6 |
| PSA | 101.43 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 124.8283 |
| Atoms | 58 |
| Rings | 5 |
| Heavy atoms | 33 |
| Hydrogen atoms | 25 |
| Heteroatoms | 9 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
